N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

C26H27N3O3 — CID 24628963

IUPACN-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C26H27N3O3/c1-18(30)28-22-13-11-19(12-14-22)16-27-25(31)21-8-5-15-29(17-21)26(32)24-10-4-7-20-6-2-3-9-23(20)24/h2-4,6-7,9-14,21H,5,8,15-17H2,1H3,(H,27,31)(H,28,30)
InChIKeyJEGVFIUSVOVRJB-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.97
Rot. Bonds5

About N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 24628963) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
PubChem CID24628963
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C26H27N3O3/c1-18(30)28-22-13-11-19(12-14-22)16-27-25(31)21-8-5-15-29(17-21)26(32)24-10-4-7-20-6-2-3-9-23(20)24/h2-4,6-7,9-14,21H,5,8,15-17H2,1H3,(H,27,31)(H,28,30)
InChIKeyJEGVFIUSVOVRJB-UHFFFAOYSA-N
XLogP3.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55898962
N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55429914
1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55585816
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994
N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239969
1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 55430075
N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46510601
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
1-(2-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50804467
N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46433629
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (CID 24628963) is N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is CC(=O)Nc1ccc(CNC(=O)C2CCCN(C(=O)c3cccc4ccccc34)C2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is JEGVFIUSVOVRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-18(30)28-22-13-11-19(12-14-22)16-27-25(31)21-8-5-15-29(17-21)26(32)24-10-4-7-20-6-2-3-9-23(20)24/h2-4,6-7,9-14,21H,5,8,15-17H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 24628963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).